(2R)-2-[[2-[[2-[[2-[[2-[[2-(methylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]propanoic acid

C14H24N6O7 — CID 171100444

IUPAC(2R)-2-[[2-[[2-[[2-[[2-[[2-(methylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]propanoic acid
SMILESCNCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@H](C)C(=O)O
InChIInChI=1S/C14H24N6O7/c1-8(14(26)27)20-13(25)7-19-12(24)6-18-11(23)5-17-10(22)4-16-9(21)3-15-2/h8,15H,3-7H2,1-2H3,(H,16,21)(H,17,22)(H,18,23)(H,19,24)(H,20,25)(H,26,27)/t8-/m1/s1
InChIKeyPRBQNWPEPLVVII-MRVPVSSYSA-N
MW388.38 g/mol
LogP-4.74
Rot. Bonds12

About (2R)-2-[[2-[[2-[[2-[[2-[[2-(methylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]propanoic acid

(2R)-2-[[2-[[2-[[2-[[2-[[2-(methylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]propanoic acid (PubChem CID 171100444) has the molecular formula C14H24N6O7 and a molecular weight of 388.38 g/mol. Its IUPAC name is (2R)-2-[[2-[[2-[[2-[[2-[[2-(methylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-[[2-[[2-[[2-[[2-(methylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]propanoic acid
PubChem CID171100444
Molecular FormulaC14H24N6O7
Molecular Weight388.38 g/mol
Exact Mass388.17
IUPAC Name(2R)-2-[[2-[[2-[[2-[[2-[[2-(methylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]propanoic acid
SMILESCNCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@H](C)C(=O)O
InChIInChI=1S/C14H24N6O7/c1-8(14(26)27)20-13(25)7-19-12(24)6-18-11(23)5-17-10(22)4-16-9(21)3-15-2/h8,15H,3-7H2,1-2H3,(H,16,21)(H,17,22)(H,18,23)(H,19,24)(H,20,25)(H,26,27)/t8-/m1/s1
InChIKeyPRBQNWPEPLVVII-MRVPVSSYSA-N
XLogP-4.74
TPSA194.83 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.38
LogP ≤ 5-4.74
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Analyze (2R)-2-[[2-[[2-[[2-[[2-[[2-(methylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[[2-(4-methylpentanoylamino)acetyl]amino]propanoic acid
CID 119238547
2-[[2-(3,3-dimethylbutanoylamino)acetyl]amino]propanoic acid
CID 119225652
(2S)-2-[[2-[[2-[[(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]propanoic acid
CID 71443016
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
CID 101176077
(2S)-2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetyl]amino]propanoic acid
CID 71361691
2-[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]propanoylamino]propanoic acid
CID 18487522
2-[2-[[2-[[2-[2-(2-aminopropanoylamino)propanoylamino]acetyl]amino]acetyl]amino]propanoylamino]propanoic acid
CID 22008190
2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]propanoic acid
CID 16785652
(2S)-2-[[2-[[2-(prop-2-enylcarbamothioylamino)acetyl]amino]acetyl]amino]propanoic acid
CID 102370471
2-[[2-[(6-methoxy-6-oxohexanoyl)amino]acetyl]amino]propanoic acid
CID 146653603
2-[[2-[[2-(methylamino)acetyl]amino]acetyl]amino]hexanedioic acid
CID 147834087
(2S)-2-[[(2R)-2-[[(2S)-2-[[2-[[(2S)-2-acetamidopropanoyl]amino]acetyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
CID 71351346

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-[[2-[[2-[[2-[[2-(methylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[2-[[2-[[2-[[2-[[2-(methylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]propanoic acid (CID 171100444) is (2R)-2-[[2-[[2-[[2-[[2-[[2-(methylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[2-[[2-[[2-[[2-[[2-(methylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[2-[[2-[[2-[[2-[[2-(methylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]propanoic acid is CNCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@H](C)C(=O)O.
What is the InChIKey of (2R)-2-[[2-[[2-[[2-[[2-[[2-(methylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]propanoic acid?
The InChIKey is PRBQNWPEPLVVII-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H24N6O7/c1-8(14(26)27)20-13(25)7-19-12(24)6-18-11(23)5-17-10(22)4-16-9(21)3-15-2/h8,15H,3-7H2,1-2H3,(H,16,21)(H,17,22)(H,18,23)(H,19,24)(H,20,25)(H,26,27)/t8-/m1/s1.
What are the key properties of (2R)-2-[[2-[[2-[[2-[[2-[[2-(methylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]propanoic acid?
(2R)-2-[[2-[[2-[[2-[[2-[[2-(methylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]propanoic acid has a molecular weight of 388.38 g/mol, XLogP of -4.74, 12 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-[[2-[[2-[[2-[[2-(methylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]propanoic acid is sourced from PubChem (CID 171100444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).